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Journal of Computational Chemistry
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November 1, 2023
Decoding energy decomposition analysis: Machine-learned Insights on the impact of the density functional on the bonding analysis
Toni Oestereich, Ralf Tonner-Zech, Julia Westermayr
The Journal of Chemical Physics
|
September 8, 2023
Machine learning for accelerated bandgap prediction in strain-engineered quaternary III-V semiconductors
Badal Mondal, Julia Westermayr, Ralf Tonner-Zech
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2010
Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid
Ralf Tonner, Vadim A Soloshonok, Peter Schwerdtfeger
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 4, 2012
A DFT-D study of structural and energetic properties of TiO2 modifications
Jonas Moellmann, Stephan Ehrlich, Ralf Tonner, et al.
Angewandte Chemie (International Ed. in English)
|
September 16, 2017
Ethers on Si(001): A Prime Example for the Common Ground between Surface Science and Molecular Organic Chemistry
Lisa Pecher, Slimane Laref, Marc Raupach, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 30, 2016
Site-Specific Reactivity of Ethylene at Distorted Dangling-Bond Configurations on Si(001)
Josua Pecher, Gerson Mette, Michael Dürr, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 10, 2011
Packed to the rafters: filling up C60 with rare gas atoms
Ralf Tonner, Gernot Frenking, Matthias Lein, et al.
Journal of the American Chemical Society
|
September 25, 2019
[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers
Eike Dornsiepen, Fabian Pieck, Ralf Tonner, et al.
Journal of Chemical Information and Modeling
|
December 10, 2013
Structure and properties of the nonface-spiral fullerenes T-C₃₈₀, D₃-C₃₈₄, D₃-C₄₄₀, and D₃-C₆₇₂ and their halma and leapfrog transforms
Lukas N Wirz, Ralf Tonner, James Avery, et al.
Angewandte Chemie (International Ed. in English)
|
September 6, 2016
Towards J/mol Accuracy for the Cohesive Energy of Solid Argon
Peter Schwerdtfeger, Ralf Tonner, Gloria E Moyano, et al.
Page
of 9
Search research articles
Search
Showing results (31-40 of 85) with videos related to
Sort By:
Page
of 9
Journal of Computational Chemistry
|
November 1, 2023
Decoding energy decomposition analysis: Machine-learned Insights on the impact of the density functional on the bonding analysis
Toni Oestereich, Ralf Tonner-Zech, Julia Westermayr
The Journal of Chemical Physics
|
September 8, 2023
Machine learning for accelerated bandgap prediction in strain-engineered quaternary III-V semiconductors
Badal Mondal, Julia Westermayr, Ralf Tonner-Zech
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2010
Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid
Ralf Tonner, Vadim A Soloshonok, Peter Schwerdtfeger
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
October 4, 2012
A DFT-D study of structural and energetic properties of TiO2 modifications
Jonas Moellmann, Stephan Ehrlich, Ralf Tonner, et al.
Angewandte Chemie (International Ed. in English)
|
September 16, 2017
Ethers on Si(001): A Prime Example for the Common Ground between Surface Science and Molecular Organic Chemistry
Lisa Pecher, Slimane Laref, Marc Raupach, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 30, 2016
Site-Specific Reactivity of Ethylene at Distorted Dangling-Bond Configurations on Si(001)
Josua Pecher, Gerson Mette, Michael Dürr, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 10, 2011
Packed to the rafters: filling up C60 with rare gas atoms
Ralf Tonner, Gernot Frenking, Matthias Lein, et al.
Journal of the American Chemical Society
|
September 25, 2019
[{(PhSn)<sub>3</sub>SnS<sub>6</sub>}{(MCp)<sub>3</sub>S<sub>4</sub>}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers
Eike Dornsiepen, Fabian Pieck, Ralf Tonner, et al.
Journal of Chemical Information and Modeling
|
December 10, 2013
Structure and properties of the nonface-spiral fullerenes T-C₃₈₀, D₃-C₃₈₄, D₃-C₄₄₀, and D₃-C₆₇₂ and their halma and leapfrog transforms
Lukas N Wirz, Ralf Tonner, James Avery, et al.
Angewandte Chemie (International Ed. in English)
|
September 6, 2016
Towards J/mol Accuracy for the Cohesive Energy of Solid Argon
Peter Schwerdtfeger, Ralf Tonner, Gloria E Moyano, et al.
Page
of 9